UCSF

ZINC36682926

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 16 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.12 -0.05 -19.29 3 5 0 81 260.34 5
Mid Mid (pH 6-8) 0.12 0.1 -51.21 2 5 -1 83 259.332 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )